Estra-1,3,5(10)-trien-3-ol
TL;DR: Estra-1,3,5(10)-trien-3-ol (CAS 53-63-4) is a chemical compound with molecular formula C18H24O and molecular weight 256.1827 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8S,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Also Known As: 17-Deoxyestradiol, 17-Deoxyestrone, 17-Desoxyestradiol, Deoxoestrone, 17-Deoxyoestrone
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H24O |
| Molecular Weight | 256.1827 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.1827 Da |
| Heavy Atoms | 19 |
| Complexity | 352.0 |
| SMILES | C[C@@]12CCC[C@H]1[C@@H]3CCC4=C([C@H]3CC2)C=CC(=C4)O |
| InChIKey | HJKVPZJVBHWFCQ-BDXSIMOUSA-N |
Product Description
Applications: Estra-1,3,5(10)-trien-3-ol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Estra-1,3,5(10)-trien-3-ol (CAS 53-63-4) is a pharmaceutical intermediate with the molecular formula C18H24O and a molecular weight of 256.18 g/mol. Synonyms include 17-Deoxyestradiol and 17-Deoxyestrone.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Estra-1,3,5(10)-trien-3-ol
Property Insights of Estra-1,3,5(10)-trien-3-ol
The XLogP value of 5.6 indicates that Estra-1,3,5(10)-trien-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Estra-1,3,5(10)-trien-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estra-1,3,5(10)-trien-3-ol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Estra-1,3,5(10)-trien-3-ol?
The CAS number of Estra-1,3,5(10)-trien-3-ol is 53-63-4.
What is the molecular formula of Estra-1,3,5(10)-trien-3-ol?
The molecular formula of Estra-1,3,5(10)-trien-3-ol is C18H24O.
What is the molecular weight of Estra-1,3,5(10)-trien-3-ol?
The molecular weight of Estra-1,3,5(10)-trien-3-ol is 256.1827 g/mol.
What are the applications of Estra-1,3,5(10)-trien-3-ol?
Estra-1,3,5(10)-trien-3-ol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Estra-1,3,5(10)-trien-3-ol?
You can request a quote for Estra-1,3,5(10)-trien-3-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Estra-1,3,5(10)-trien-3-ol?
Yes, CoreyChem provides custom synthesis services for Estra-1,3,5(10)-trien-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.